Drgan, V.; Župerl, Š.; Vračko, M.; Como, F.; Novič, M. Robust modelling of acute toxicity towards fathead minnow (Pimephales promelas) using counter-propagation artificial neural networks and genetic algorithm. SAR QSAR Environ. Res. 2016, 27, 501–519.
Compound
| ID: | 431 | |
|---|---|---|
| Name: | 3,4-dimethyl-1-pentyn-3-ol | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C7H12O/c1-5-7(4,8)6(2)3/h1,6,8H,2-4H3 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [mmol/L]
| Value | Source or prediction |
|---|---|
| -0.262 |
experimental value |
| -1.06 |
Model.2: Model with 18x18 neurons (Training set) |
| -0.236 |
Model.8: Model with 25x25 neurons (Training set) |